N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide

C11H15FN2O2 — CID 65434046

IUPACN-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(C)CN
InChIInChI=1S/C11H15FN2O2/c1-7(6-13)14-11(15)10-8(12)4-3-5-9(10)16-2/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyLVIBVBMZZIARSS-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.91
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide

N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide (PubChem CID 65434046) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
PubChem CID65434046
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(C)CN
InChIInChI=1S/C11H15FN2O2/c1-7(6-13)14-11(15)10-8(12)4-3-5-9(10)16-2/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyLVIBVBMZZIARSS-UHFFFAOYSA-N
XLogP0.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107015862
N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 65432150
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide
CID 106357024
N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
CID 114389675
(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 79010897
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 65432052
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 107829710
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide (CID 65434046) is N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NC(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide?
The InChIKey is LVIBVBMZZIARSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(6-13)14-11(15)10-8(12)4-3-5-9(10)16-2/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide?
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide has a molecular weight of 226.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 65434046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).